ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 315679-46-0) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: IFLab1_003557, BAS 03011636, IDI1_009664, ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, F0825-0151
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 315679-46-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CC(=O)OC)C |
| InChIKey | GQZYJIOHMGRXEA-UHFFFAOYSA-N |
Product Overview
ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 315679-46-0), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 315679-46-0.
What is the molecular formula of ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C13H17NO5.
What is the molecular weight of ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 267.11 g/mol.
Where can I buy ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(3-methoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.